Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: Wild-type Protein
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | MET | HA | H | 4.186 | 0.001 | 1 |
2 | 1 | 1 | MET | HB2 | H | 2.201 | 0.000 | 2 |
3 | 1 | 1 | MET | HB3 | H | 2.099 | 0.000 | 2 |
4 | 1 | 1 | MET | HG2 | H | 2.425 | 0.000 | 1 |
5 | 1 | 1 | MET | HG3 | H | 2.425 | 0.000 | 1 |
6 | 1 | 1 | MET | HE1 | H | 2.130 | 0.000 | 1 |
7 | 1 | 1 | MET | HE2 | H | 2.130 | 0.000 | 1 |
8 | 1 | 1 | MET | HE3 | H | 2.130 | 0.000 | 1 |
9 | 1 | 2 | GLN | H | H | 8.381 | 0.001 | 1 |
10 | 1 | 2 | GLN | HA | H | 4.990 | 0.001 | 1 |
11 | 1 | 2 | GLN | HB2 | H | 2.043 | 0.001 | 2 |
12 | 1 | 2 | GLN | HB3 | H | 1.992 | 0.004 | 2 |
13 | 1 | 2 | GLN | HG2 | H | 2.364 | 0.001 | 2 |
14 | 1 | 2 | GLN | HG3 | H | 2.133 | 0.000 | 2 |
15 | 1 | 2 | GLN | HE21 | H | 6.921 | 0.000 | 2 |
16 | 1 | 2 | GLN | HE22 | H | 7.850 | 0.000 | 2 |
17 | 1 | 3 | TYR | H | H | 9.119 | 0.000 | 1 |
18 | 1 | 3 | TYR | HA | H | 5.380 | 0.001 | 1 |
19 | 1 | 3 | TYR | HB2 | H | 3.415 | 0.000 | 2 |
20 | 1 | 3 | TYR | HB3 | H | 2.749 | 0.001 | 2 |
21 | 1 | 3 | TYR | HD1 | H | 7.153 | 0.000 | 1 |
22 | 1 | 3 | TYR | HD2 | H | 7.153 | 0.000 | 1 |
23 | 1 | 3 | TYR | HE1 | H | 6.923 | 0.000 | 1 |
24 | 1 | 3 | TYR | HE2 | H | 6.923 | 0.000 | 1 |
25 | 1 | 4 | LYS | H | H | 9.119 | 0.002 | 1 |
26 | 1 | 4 | LYS | HA | H | 5.226 | 0.001 | 1 |
27 | 1 | 4 | LYS | HB2 | H | 2.046 | 0.002 | 2 |
28 | 1 | 4 | LYS | HB3 | H | 1.897 | 0.003 | 2 |
29 | 1 | 4 | LYS | HG2 | H | 1.478 | 0.003 | 2 |
30 | 1 | 4 | LYS | HG3 | H | 1.345 | 0.002 | 2 |
31 | 1 | 4 | LYS | HD2 | H | 1.627 | 0.003 | 1 |
32 | 1 | 4 | LYS | HD3 | H | 1.627 | 0.003 | 1 |
33 | 1 | 4 | LYS | HE2 | H | 2.854 | 0.003 | 2 |
34 | 1 | 4 | LYS | HE3 | H | 2.781 | 0.003 | 2 |
35 | 1 | 5 | LEU | H | H | 8.616 | 0.000 | 1 |
36 | 1 | 5 | LEU | HA | H | 4.957 | 0.000 | 1 |
37 | 1 | 5 | LEU | HB2 | H | 0.752 | 0.000 | 2 |
38 | 1 | 5 | LEU | HB3 | H | -1.134 | 0.001 | 2 |
39 | 1 | 5 | LEU | HG | H | 0.865 | 0.001 | 1 |
40 | 1 | 5 | LEU | HD11 | H | 0.542 | 0.001 | 2 |
41 | 1 | 5 | LEU | HD12 | H | 0.542 | 0.001 | 2 |
42 | 1 | 5 | LEU | HD13 | H | 0.542 | 0.001 | 2 |
43 | 1 | 5 | LEU | HD21 | H | 0.583 | 0.001 | 2 |
44 | 1 | 5 | LEU | HD22 | H | 0.583 | 0.001 | 2 |
45 | 1 | 5 | LEU | HD23 | H | 0.583 | 0.001 | 2 |
46 | 1 | 6 | ILE | H | H | 9.124 | 0.001 | 1 |
47 | 1 | 6 | ILE | HA | H | 4.312 | 0.001 | 1 |
48 | 1 | 6 | ILE | HB | H | 1.994 | 0.003 | 1 |
49 | 1 | 6 | ILE | HG12 | H | 1.406 | 0.000 | 2 |
50 | 1 | 6 | ILE | HG13 | H | 1.097 | 0.002 | 2 |
51 | 1 | 6 | ILE | HG21 | H | 0.798 | 0.001 | 1 |
52 | 1 | 6 | ILE | HG22 | H | 0.798 | 0.001 | 1 |
53 | 1 | 6 | ILE | HG23 | H | 0.798 | 0.001 | 1 |
54 | 1 | 6 | ILE | HD11 | H | 0.770 | 0.001 | 1 |
55 | 1 | 6 | ILE | HD12 | H | 0.770 | 0.001 | 1 |
56 | 1 | 6 | ILE | HD13 | H | 0.770 | 0.001 | 1 |
57 | 1 | 7 | LEU | H | H | 8.721 | 0.001 | 1 |
58 | 1 | 7 | LEU | HA | H | 4.458 | 0.000 | 1 |
59 | 1 | 7 | LEU | HB2 | H | 1.448 | 0.000 | 2 |
60 | 1 | 7 | LEU | HB3 | H | 1.357 | 0.000 | 2 |
61 | 1 | 7 | LEU | HG | H | 1.291 | 0.001 | 1 |
62 | 1 | 7 | LEU | HD11 | H | 0.762 | 0.002 | 1 |
63 | 1 | 7 | LEU | HD12 | H | 0.762 | 0.002 | 1 |
64 | 1 | 7 | LEU | HD13 | H | 0.762 | 0.002 | 1 |
65 | 1 | 7 | LEU | HD21 | H | 0.762 | 0.002 | 1 |
66 | 1 | 7 | LEU | HD22 | H | 0.762 | 0.002 | 1 |
67 | 1 | 7 | LEU | HD23 | H | 0.762 | 0.002 | 1 |
68 | 1 | 8 | ASN | H | H | 8.934 | 0.000 | 1 |
69 | 1 | 8 | ASN | HA | H | 5.296 | 0.000 | 1 |
70 | 1 | 8 | ASN | HB2 | H | 3.024 | 0.002 | 2 |
71 | 1 | 8 | ASN | HB3 | H | 2.515 | 0.002 | 2 |
72 | 1 | 8 | ASN | HD21 | H | 6.784 | 0.000 | 2 |
73 | 1 | 8 | ASN | HD22 | H | 7.164 | 0.000 | 2 |
74 | 1 | 9 | GLY | H | H | 7.942 | 0.000 | 1 |
75 | 1 | 9 | GLY | HA2 | H | 4.409 | 0.002 | 2 |
76 | 1 | 9 | GLY | HA3 | H | 4.056 | 0.001 | 2 |
77 | 1 | 10 | LYS | H | H | 9.551 | 0.000 | 1 |
78 | 1 | 10 | LYS | HA | H | 4.067 | 0.000 | 1 |
79 | 1 | 10 | LYS | HB2 | H | 1.829 | 0.002 | 1 |
80 | 1 | 10 | LYS | HB3 | H | 1.829 | 0.002 | 1 |
81 | 1 | 10 | LYS | HG2 | H | 1.504 | 0.000 | 2 |
82 | 1 | 10 | LYS | HG3 | H | 1.466 | 0.000 | 2 |
83 | 1 | 10 | LYS | HD2 | H | 1.691 | 0.001 | 1 |
84 | 1 | 10 | LYS | HD3 | H | 1.691 | 0.001 | 1 |
85 | 1 | 10 | LYS | HE2 | H | 3.001 | 0.002 | 1 |
86 | 1 | 10 | LYS | HE3 | H | 3.001 | 0.002 | 1 |
87 | 1 | 11 | THR | H | H | 8.840 | 0.000 | 1 |
88 | 1 | 11 | THR | HA | H | 4.392 | 0.001 | 1 |
89 | 1 | 11 | THR | HB | H | 4.234 | 0.002 | 1 |
90 | 1 | 11 | THR | HG21 | H | 1.145 | 0.001 | 1 |
91 | 1 | 11 | THR | HG22 | H | 1.145 | 0.001 | 1 |
92 | 1 | 11 | THR | HG23 | H | 1.145 | 0.001 | 1 |
93 | 1 | 12 | LEU | H | H | 7.399 | 0.001 | 1 |
94 | 1 | 12 | LEU | HA | H | 4.458 | 0.000 | 1 |
95 | 1 | 12 | LEU | HB2 | H | 1.576 | 0.002 | 2 |
96 | 1 | 12 | LEU | HB3 | H | 1.422 | 0.000 | 2 |
97 | 1 | 12 | LEU | HG | H | 1.423 | 0.000 | 1 |
98 | 1 | 12 | LEU | HD11 | H | 0.803 | 0.000 | 2 |
99 | 1 | 12 | LEU | HD12 | H | 0.803 | 0.000 | 2 |
100 | 1 | 12 | LEU | HD13 | H | 0.803 | 0.000 | 2 |
101 | 1 | 12 | LEU | HD21 | H | 0.895 | 0.000 | 2 |
102 | 1 | 12 | LEU | HD22 | H | 0.895 | 0.000 | 2 |
103 | 1 | 12 | LEU | HD23 | H | 0.895 | 0.000 | 2 |
104 | 1 | 13 | LYS | H | H | 8.123 | 0.001 | 1 |
105 | 1 | 13 | LYS | HA | H | 5.182 | 0.002 | 1 |
106 | 1 | 13 | LYS | HB2 | H | 1.912 | 0.001 | 2 |
107 | 1 | 13 | LYS | HB3 | H | 1.739 | 0.000 | 2 |
108 | 1 | 13 | LYS | HG2 | H | 1.492 | 0.004 | 2 |
109 | 1 | 13 | LYS | HG3 | H | 1.428 | 0.006 | 2 |
110 | 1 | 13 | LYS | HD2 | H | 1.682 | 0.000 | 1 |
111 | 1 | 13 | LYS | HD3 | H | 1.682 | 0.000 | 1 |
112 | 1 | 13 | LYS | HE2 | H | 3.024 | 0.000 | 2 |
113 | 1 | 13 | LYS | HE3 | H | 2.927 | 0.000 | 2 |
114 | 1 | 14 | GLY | H | H | 8.450 | 0.000 | 1 |
115 | 1 | 14 | GLY | HA2 | H | 4.291 | 0.001 | 2 |
116 | 1 | 14 | GLY | HA3 | H | 4.160 | 0.000 | 2 |
117 | 1 | 15 | GLU | H | H | 8.427 | 0.001 | 1 |
118 | 1 | 15 | GLU | HA | H | 5.601 | 0.001 | 1 |
119 | 1 | 15 | GLU | HB2 | H | 2.029 | 0.006 | 2 |
120 | 1 | 15 | GLU | HB3 | H | 1.933 | 0.002 | 2 |
121 | 1 | 15 | GLU | HG2 | H | 2.142 | 0.001 | 1 |
122 | 1 | 15 | GLU | HG3 | H | 2.142 | 0.001 | 1 |
123 | 1 | 16 | THR | H | H | 8.769 | 0.001 | 1 |
124 | 1 | 16 | THR | HA | H | 4.732 | 0.000 | 1 |
125 | 1 | 16 | THR | HB | H | 3.903 | 0.002 | 1 |
126 | 1 | 16 | THR | HG21 | H | 0.390 | 0.000 | 1 |
127 | 1 | 16 | THR | HG22 | H | 0.390 | 0.000 | 1 |
128 | 1 | 16 | THR | HG23 | H | 0.390 | 0.000 | 1 |
129 | 1 | 17 | THR | H | H | 8.079 | 0.001 | 1 |
130 | 1 | 17 | THR | HA | H | 5.812 | 0.000 | 1 |
131 | 1 | 17 | THR | HB | H | 4.309 | 0.003 | 1 |
132 | 1 | 17 | THR | HG21 | H | 1.196 | 0.001 | 1 |
133 | 1 | 17 | THR | HG22 | H | 1.196 | 0.001 | 1 |
134 | 1 | 17 | THR | HG23 | H | 1.196 | 0.001 | 1 |
135 | 1 | 18 | THR | H | H | 8.996 | 0.000 | 1 |
136 | 1 | 18 | THR | HA | H | 4.675 | 0.002 | 1 |
137 | 1 | 18 | THR | HB | H | 3.853 | 0.003 | 1 |
138 | 1 | 18 | THR | HG21 | H | 0.485 | 0.002 | 1 |
139 | 1 | 18 | THR | HG22 | H | 0.485 | 0.002 | 1 |
140 | 1 | 18 | THR | HG23 | H | 0.485 | 0.002 | 1 |
141 | 1 | 19 | GLU | H | H | 7.954 | 0.001 | 1 |
142 | 1 | 19 | GLU | HA | H | 5.176 | 0.002 | 1 |
143 | 1 | 19 | GLU | HB2 | H | 1.946 | 0.002 | 1 |
144 | 1 | 19 | GLU | HB3 | H | 1.946 | 0.002 | 1 |
145 | 1 | 19 | GLU | HG2 | H | 2.296 | 0.003 | 2 |
146 | 1 | 19 | GLU | HG3 | H | 2.058 | 0.003 | 2 |
147 | 1 | 20 | ALA | H | H | 9.344 | 0.000 | 1 |
148 | 1 | 20 | ALA | HA | H | 4.946 | 0.001 | 1 |
149 | 1 | 20 | ALA | HB1 | H | 1.341 | 0.001 | 1 |
150 | 1 | 20 | ALA | HB2 | H | 1.341 | 0.001 | 1 |
151 | 1 | 20 | ALA | HB3 | H | 1.341 | 0.001 | 1 |
152 | 1 | 21 | VAL | H | H | 8.505 | 0.000 | 1 |
153 | 1 | 21 | VAL | HA | H | 4.122 | 0.001 | 1 |
154 | 1 | 21 | VAL | HB | H | 2.200 | 0.000 | 1 |
155 | 1 | 21 | VAL | HG11 | H | 1.009 | 0.000 | 1 |
156 | 1 | 21 | VAL | HG12 | H | 1.009 | 0.000 | 1 |
157 | 1 | 21 | VAL | HG13 | H | 1.009 | 0.000 | 1 |
158 | 1 | 21 | VAL | HG21 | H | 1.009 | 0.000 | 1 |
159 | 1 | 21 | VAL | HG22 | H | 1.009 | 0.000 | 1 |
160 | 1 | 21 | VAL | HG23 | H | 1.009 | 0.000 | 1 |
161 | 1 | 22 | ASP | H | H | 7.343 | 0.000 | 1 |
162 | 1 | 22 | ASP | HA | H | 4.760 | 0.001 | 1 |
163 | 1 | 22 | ASP | HB2 | H | 3.044 | 0.002 | 2 |
164 | 1 | 22 | ASP | HB3 | H | 2.980 | 0.001 | 2 |
165 | 1 | 23 | ALA | H | H | 8.296 | 0.001 | 1 |
166 | 1 | 23 | ALA | HA | H | 3.329 | 0.001 | 1 |
167 | 1 | 23 | ALA | HB1 | H | 1.189 | 0.001 | 1 |
168 | 1 | 23 | ALA | HB2 | H | 1.189 | 0.001 | 1 |
169 | 1 | 23 | ALA | HB3 | H | 1.189 | 0.001 | 1 |
170 | 1 | 24 | ALA | H | H | 8.061 | 0.000 | 1 |
171 | 1 | 24 | ALA | HA | H | 3.972 | 0.002 | 1 |
172 | 1 | 24 | ALA | HB1 | H | 1.297 | 0.002 | 1 |
173 | 1 | 24 | ALA | HB2 | H | 1.297 | 0.002 | 1 |
174 | 1 | 24 | ALA | HB3 | H | 1.297 | 0.002 | 1 |
175 | 1 | 25 | THR | H | H | 8.283 | 0.000 | 1 |
176 | 1 | 25 | THR | HA | H | 3.705 | 0.002 | 1 |
177 | 1 | 25 | THR | HB | H | 4.027 | 0.002 | 1 |
178 | 1 | 25 | THR | HG21 | H | 1.228 | 0.001 | 1 |
179 | 1 | 25 | THR | HG22 | H | 1.228 | 0.001 | 1 |
180 | 1 | 25 | THR | HG23 | H | 1.228 | 0.001 | 1 |
181 | 1 | 26 | ALA | H | H | 7.160 | 0.000 | 1 |
182 | 1 | 26 | ALA | HA | H | 3.084 | 0.001 | 1 |
183 | 1 | 26 | ALA | HB1 | H | 0.519 | 0.001 | 1 |
184 | 1 | 26 | ALA | HB2 | H | 0.519 | 0.001 | 1 |
185 | 1 | 26 | ALA | HB3 | H | 0.519 | 0.001 | 1 |
186 | 1 | 27 | GLU | H | H | 8.348 | 0.000 | 1 |
187 | 1 | 27 | GLU | HA | H | 2.634 | 0.001 | 1 |
188 | 1 | 27 | GLU | HB2 | H | 1.949 | 0.000 | 2 |
189 | 1 | 27 | GLU | HB3 | H | 1.833 | 0.000 | 2 |
190 | 1 | 27 | GLU | HG2 | H | 1.611 | 0.000 | 1 |
191 | 1 | 27 | GLU | HG3 | H | 1.611 | 0.000 | 1 |
192 | 1 | 28 | LYS | H | H | 6.946 | 0.000 | 1 |
193 | 1 | 28 | LYS | HA | H | 3.733 | 0.001 | 1 |
194 | 1 | 28 | LYS | HB2 | H | 1.836 | 0.000 | 1 |
195 | 1 | 28 | LYS | HB3 | H | 1.836 | 0.000 | 1 |
196 | 1 | 28 | LYS | HG2 | H | 1.534 | 0.004 | 2 |
197 | 1 | 28 | LYS | HG3 | H | 1.330 | 0.000 | 2 |
198 | 1 | 28 | LYS | HD2 | H | 1.614 | 0.000 | 1 |
199 | 1 | 28 | LYS | HD3 | H | 1.614 | 0.000 | 1 |
200 | 1 | 28 | LYS | HE2 | H | 2.897 | 0.000 | 1 |
201 | 1 | 28 | LYS | HE3 | H | 2.897 | 0.000 | 1 |
202 | 1 | 29 | VAL | H | H | 7.314 | 0.000 | 1 |
203 | 1 | 29 | VAL | HA | H | 3.623 | 0.000 | 1 |
204 | 1 | 29 | VAL | HB | H | 1.755 | 0.001 | 1 |
205 | 1 | 29 | VAL | HG11 | H | 0.801 | 0.002 | 2 |
206 | 1 | 29 | VAL | HG12 | H | 0.801 | 0.002 | 2 |
207 | 1 | 29 | VAL | HG13 | H | 0.801 | 0.002 | 2 |
208 | 1 | 29 | VAL | HG21 | H | 0.907 | 0.001 | 2 |
209 | 1 | 29 | VAL | HG22 | H | 0.907 | 0.001 | 2 |
210 | 1 | 29 | VAL | HG23 | H | 0.907 | 0.001 | 2 |
211 | 1 | 30 | PHE | H | H | 8.525 | 0.000 | 1 |
212 | 1 | 30 | PHE | HA | H | 4.805 | 0.000 | 1 |
213 | 1 | 30 | PHE | HB2 | H | 3.340 | 0.000 | 2 |
214 | 1 | 30 | PHE | HB3 | H | 2.853 | 0.001 | 2 |
215 | 1 | 30 | PHE | HD1 | H | 6.521 | 0.000 | 3 |
216 | 1 | 30 | PHE | HD2 | H | 6.553 | 0.000 | 3 |
217 | 1 | 30 | PHE | HE1 | H | 7.084 | 0.000 | 1 |
218 | 1 | 30 | PHE | HE2 | H | 7.084 | 0.000 | 1 |
219 | 1 | 30 | PHE | HZ | H | 7.187 | 0.001 | 1 |
220 | 1 | 31 | LYS | H | H | 9.099 | 0.000 | 1 |
221 | 1 | 31 | LYS | HA | H | 4.175 | 0.001 | 1 |
222 | 1 | 31 | LYS | HB2 | H | 1.663 | 0.000 | 2 |
223 | 1 | 31 | LYS | HB3 | H | 1.571 | 0.003 | 2 |
224 | 1 | 31 | LYS | HG2 | H | 0.814 | 0.001 | 2 |
225 | 1 | 31 | LYS | HG3 | H | 0.488 | 0.001 | 2 |
226 | 1 | 31 | LYS | HD2 | H | 1.119 | 0.002 | 2 |
227 | 1 | 31 | LYS | HD3 | H | 1.048 | 0.001 | 2 |
228 | 1 | 31 | LYS | HE2 | H | 1.931 | 0.002 | 2 |
229 | 1 | 31 | LYS | HE3 | H | 1.658 | 0.001 | 2 |
230 | 1 | 32 | GLN | H | H | 7.429 | 0.000 | 1 |
231 | 1 | 32 | GLN | HA | H | 4.053 | 0.001 | 1 |
232 | 1 | 32 | GLN | HB2 | H | 2.252 | 0.002 | 2 |
233 | 1 | 32 | GLN | HB3 | H | 2.206 | 0.000 | 2 |
234 | 1 | 32 | GLN | HG2 | H | 2.451 | 0.000 | 2 |
235 | 1 | 32 | GLN | HG3 | H | 2.422 | 0.000 | 2 |
236 | 1 | 32 | GLN | HE21 | H | 6.891 | 0.000 | 2 |
237 | 1 | 32 | GLN | HE22 | H | 7.966 | 0.000 | 2 |
238 | 1 | 33 | TYR | H | H | 8.271 | 0.000 | 1 |
239 | 1 | 33 | TYR | HA | H | 4.267 | 0.000 | 1 |
240 | 1 | 33 | TYR | HB2 | H | 3.306 | 0.001 | 1 |
241 | 1 | 33 | TYR | HB3 | H | 3.306 | 0.001 | 1 |
242 | 1 | 33 | TYR | HD1 | H | 6.985 | 0.000 | 1 |
243 | 1 | 33 | TYR | HD2 | H | 6.985 | 0.000 | 1 |
244 | 1 | 33 | TYR | HE1 | H | 6.737 | 0.000 | 1 |
245 | 1 | 33 | TYR | HE2 | H | 6.737 | 0.000 | 1 |
246 | 1 | 34 | ALA | H | H | 9.209 | 0.000 | 1 |
247 | 1 | 34 | ALA | HA | H | 3.819 | 0.001 | 1 |
248 | 1 | 34 | ALA | HB1 | H | 1.850 | 0.000 | 1 |
249 | 1 | 34 | ALA | HB2 | H | 1.850 | 0.000 | 1 |
250 | 1 | 34 | ALA | HB3 | H | 1.850 | 0.000 | 1 |
251 | 1 | 35 | ASN | H | H | 8.260 | 0.000 | 1 |
252 | 1 | 35 | ASN | HA | H | 4.453 | 0.000 | 1 |
253 | 1 | 35 | ASN | HB2 | H | 2.965 | 0.002 | 2 |
254 | 1 | 35 | ASN | HB3 | H | 2.929 | 0.001 | 2 |
255 | 1 | 35 | ASN | HD21 | H | 6.985 | 0.000 | 2 |
256 | 1 | 35 | ASN | HD22 | H | 7.629 | 0.000 | 2 |
257 | 1 | 36 | ASP | H | H | 8.965 | 0.000 | 1 |
258 | 1 | 36 | ASP | HA | H | 4.365 | 0.001 | 1 |
259 | 1 | 36 | ASP | HB2 | H | 2.726 | 0.003 | 2 |
260 | 1 | 36 | ASP | HB3 | H | 2.573 | 0.003 | 2 |
261 | 1 | 37 | ASN | H | H | 7.407 | 0.000 | 1 |
262 | 1 | 37 | ASN | HA | H | 4.599 | 0.002 | 1 |
263 | 1 | 37 | ASN | HB2 | H | 2.699 | 0.002 | 2 |
264 | 1 | 37 | ASN | HB3 | H | 2.119 | 0.000 | 2 |
265 | 1 | 37 | ASN | HD21 | H | 6.258 | 0.000 | 2 |
266 | 1 | 37 | ASN | HD22 | H | 6.664 | 0.000 | 2 |
267 | 1 | 38 | GLY | H | H | 7.820 | 0.000 | 1 |
268 | 1 | 38 | GLY | HA2 | H | 3.950 | 0.000 | 2 |
269 | 1 | 38 | GLY | HA3 | H | 3.915 | 0.000 | 2 |
270 | 1 | 39 | VAL | H | H | 8.116 | 0.002 | 1 |
271 | 1 | 39 | VAL | HA | H | 4.181 | 0.003 | 1 |
272 | 1 | 39 | VAL | HB | H | 1.724 | 0.003 | 1 |
273 | 1 | 39 | VAL | HG11 | H | 0.656 | 0.003 | 2 |
274 | 1 | 39 | VAL | HG12 | H | 0.656 | 0.003 | 2 |
275 | 1 | 39 | VAL | HG13 | H | 0.656 | 0.003 | 2 |
276 | 1 | 39 | VAL | HG21 | H | 0.842 | 0.001 | 2 |
277 | 1 | 39 | VAL | HG22 | H | 0.842 | 0.001 | 2 |
278 | 1 | 39 | VAL | HG23 | H | 0.842 | 0.001 | 2 |
279 | 1 | 40 | ASP | H | H | 8.616 | 0.001 | 1 |
280 | 1 | 40 | ASP | HA | H | 4.887 | 0.001 | 1 |
281 | 1 | 40 | ASP | HB2 | H | 2.755 | 0.000 | 2 |
282 | 1 | 40 | ASP | HB3 | H | 2.590 | 0.002 | 2 |
283 | 1 | 41 | GLY | H | H | 7.764 | 0.000 | 1 |
284 | 1 | 41 | GLY | HA2 | H | 4.305 | 0.000 | 2 |
285 | 1 | 41 | GLY | HA3 | H | 3.618 | 0.001 | 2 |
286 | 1 | 42 | GLU | H | H | 8.188 | 0.001 | 1 |
287 | 1 | 42 | GLU | HA | H | 4.692 | 0.002 | 1 |
288 | 1 | 42 | GLU | HB2 | H | 2.059 | 0.003 | 2 |
289 | 1 | 42 | GLU | HB3 | H | 1.983 | 0.002 | 2 |
290 | 1 | 42 | GLU | HG2 | H | 2.361 | 0.003 | 2 |
291 | 1 | 42 | GLU | HG3 | H | 2.247 | 0.001 | 2 |
292 | 1 | 43 | TRP | H | H | 9.352 | 0.001 | 1 |
293 | 1 | 43 | TRP | HA | H | 5.359 | 0.003 | 1 |
294 | 1 | 43 | TRP | HB2 | H | 3.375 | 0.001 | 2 |
295 | 1 | 43 | TRP | HB3 | H | 3.166 | 0.001 | 2 |
296 | 1 | 43 | TRP | HD1 | H | 7.579 | 0.000 | 1 |
297 | 1 | 43 | TRP | HE1 | H | 10.534 | 0.000 | 1 |
298 | 1 | 43 | TRP | HE3 | H | 7.628 | 0.001 | 1 |
299 | 1 | 43 | TRP | HZ2 | H | 7.354 | 0.001 | 1 |
300 | 1 | 43 | TRP | HZ3 | H | 6.635 | 0.001 | 1 |
301 | 1 | 43 | TRP | HH2 | H | 6.758 | 0.002 | 1 |
302 | 1 | 44 | THR | H | H | 9.312 | 0.001 | 1 |
303 | 1 | 44 | THR | HA | H | 4.835 | 0.001 | 1 |
304 | 1 | 44 | THR | HB | H | 4.251 | 0.003 | 1 |
305 | 1 | 44 | THR | HG21 | H | 1.204 | 0.001 | 1 |
306 | 1 | 44 | THR | HG22 | H | 1.204 | 0.001 | 1 |
307 | 1 | 44 | THR | HG23 | H | 1.204 | 0.001 | 1 |
308 | 1 | 45 | TYR | H | H | 8.576 | 0.000 | 1 |
309 | 1 | 45 | TYR | HA | H | 4.987 | 0.003 | 1 |
310 | 1 | 45 | TYR | HB2 | H | 2.892 | 0.000 | 2 |
311 | 1 | 45 | TYR | HB3 | H | 2.507 | 0.001 | 2 |
312 | 1 | 45 | TYR | HD1 | H | 7.152 | 0.000 | 1 |
313 | 1 | 45 | TYR | HD2 | H | 7.152 | 0.000 | 1 |
314 | 1 | 45 | TYR | HE1 | H | 6.365 | 0.000 | 1 |
315 | 1 | 45 | TYR | HE2 | H | 6.365 | 0.000 | 1 |
316 | 1 | 46 | ASP | H | H | 7.633 | 0.000 | 1 |
317 | 1 | 46 | ASP | HA | H | 4.601 | 0.002 | 1 |
318 | 1 | 46 | ASP | HB2 | H | 2.608 | 0.001 | 2 |
319 | 1 | 46 | ASP | HB3 | H | 2.275 | 0.001 | 2 |
320 | 1 | 47 | ASP | H | H | 8.598 | 0.001 | 1 |
321 | 1 | 47 | ASP | HA | H | 4.157 | 0.002 | 1 |
322 | 1 | 47 | ASP | HB2 | H | 2.843 | 0.000 | 2 |
323 | 1 | 47 | ASP | HB3 | H | 2.531 | 0.002 | 2 |
324 | 1 | 48 | ALA | H | H | 8.356 | 0.000 | 1 |
325 | 1 | 48 | ALA | HA | H | 4.122 | 0.000 | 1 |
326 | 1 | 48 | ALA | HB1 | H | 1.514 | 0.001 | 1 |
327 | 1 | 48 | ALA | HB2 | H | 1.514 | 0.001 | 1 |
328 | 1 | 48 | ALA | HB3 | H | 1.514 | 0.001 | 1 |
329 | 1 | 49 | THR | H | H | 7.022 | 0.000 | 1 |
330 | 1 | 49 | THR | HA | H | 4.408 | 0.000 | 1 |
331 | 1 | 49 | THR | HB | H | 4.418 | 0.000 | 1 |
332 | 1 | 49 | THR | HG21 | H | 1.085 | 0.002 | 1 |
333 | 1 | 49 | THR | HG22 | H | 1.085 | 0.002 | 1 |
334 | 1 | 49 | THR | HG23 | H | 1.085 | 0.002 | 1 |
335 | 1 | 50 | LYS | H | H | 7.873 | 0.001 | 1 |
336 | 1 | 50 | LYS | HA | H | 4.200 | 0.002 | 1 |
337 | 1 | 50 | LYS | HB2 | H | 2.087 | 0.003 | 2 |
338 | 1 | 50 | LYS | HB3 | H | 2.022 | 0.003 | 2 |
339 | 1 | 50 | LYS | HG2 | H | 1.405 | 0.000 | 2 |
340 | 1 | 50 | LYS | HG3 | H | 1.234 | 0.000 | 2 |
341 | 1 | 50 | LYS | HD2 | H | 1.715 | 0.000 | 2 |
342 | 1 | 50 | LYS | HD3 | H | 1.426 | 0.005 | 2 |
343 | 1 | 50 | LYS | HE2 | H | 3.101 | 0.002 | 2 |
344 | 1 | 50 | LYS | HE3 | H | 2.973 | 0.000 | 2 |
345 | 1 | 51 | THR | H | H | 7.400 | 0.000 | 1 |
346 | 1 | 51 | THR | HA | H | 5.519 | 0.000 | 1 |
347 | 1 | 51 | THR | HB | H | 3.769 | 0.001 | 1 |
348 | 1 | 51 | THR | HG21 | H | 1.000 | 0.001 | 1 |
349 | 1 | 51 | THR | HG22 | H | 1.000 | 0.001 | 1 |
350 | 1 | 51 | THR | HG23 | H | 1.000 | 0.001 | 1 |
351 | 1 | 52 | PHE | H | H | 10.388 | 0.001 | 1 |
352 | 1 | 52 | PHE | HA | H | 5.689 | 0.000 | 1 |
353 | 1 | 52 | PHE | HB2 | H | 3.287 | 0.000 | 2 |
354 | 1 | 52 | PHE | HB3 | H | 3.241 | 0.000 | 2 |
355 | 1 | 52 | PHE | HD1 | H | 7.809 | 0.000 | 1 |
356 | 1 | 52 | PHE | HD2 | H | 7.809 | 0.000 | 1 |
357 | 1 | 52 | PHE | HE1 | H | 7.148 | 0.003 | 1 |
358 | 1 | 52 | PHE | HE2 | H | 7.148 | 0.003 | 1 |
359 | 1 | 52 | PHE | HZ | H | 6.995 | 0.000 | 1 |
360 | 1 | 53 | THR | H | H | 9.133 | 0.001 | 1 |
361 | 1 | 53 | THR | HA | H | 5.218 | 0.002 | 1 |
362 | 1 | 53 | THR | HB | H | 3.832 | 0.000 | 1 |
363 | 1 | 53 | THR | HG21 | H | 0.969 | 0.001 | 1 |
364 | 1 | 53 | THR | HG22 | H | 0.969 | 0.001 | 1 |
365 | 1 | 53 | THR | HG23 | H | 0.969 | 0.001 | 1 |
366 | 1 | 54 | VAL | H | H | 8.175 | 0.001 | 1 |
367 | 1 | 54 | VAL | HA | H | 4.494 | 0.001 | 1 |
368 | 1 | 54 | VAL | HB | H | -0.272 | 0.002 | 1 |
369 | 1 | 54 | VAL | HG11 | H | -0.334 | 0.003 | 2 |
370 | 1 | 54 | VAL | HG12 | H | -0.334 | 0.003 | 2 |
371 | 1 | 54 | VAL | HG13 | H | -0.334 | 0.003 | 2 |
372 | 1 | 54 | VAL | HG21 | H | 0.398 | 0.001 | 2 |
373 | 1 | 54 | VAL | HG22 | H | 0.398 | 0.001 | 2 |
374 | 1 | 54 | VAL | HG23 | H | 0.398 | 0.001 | 2 |
375 | 1 | 55 | THR | H | H | 8.367 | 0.000 | 1 |
376 | 1 | 55 | THR | HA | H | 4.681 | 0.001 | 1 |
377 | 1 | 55 | THR | HB | H | 3.859 | 0.001 | 1 |
378 | 1 | 55 | THR | HG21 | H | 1.247 | 0.000 | 1 |
379 | 1 | 55 | THR | HG22 | H | 1.247 | 0.000 | 1 |
380 | 1 | 55 | THR | HG23 | H | 1.247 | 0.000 | 1 |
381 | 1 | 56 | GLU | H | H | 7.806 | 0.002 | 1 |
382 | 1 | 56 | GLU | HA | H | 4.310 | 0.002 | 1 |
383 | 1 | 56 | GLU | HB2 | H | 2.167 | 0.004 | 2 |
384 | 1 | 56 | GLU | HB3 | H | 1.940 | 0.000 | 2 |
385 | 1 | 56 | GLU | HG2 | H | 2.394 | 0.000 | 2 |
386 | 1 | 56 | GLU | HG3 | H | 2.364 | 0.001 | 2 |